PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

al(iii)f6(3-) (yaxxaw)   1855 Al(III)F6(3-) (YAXXAW)

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    #  Species Formula
  1845 Aluminum difluorideF2Al
  1846 Aluminum difluoride, anionF2Al
  1847 Aluminum difluoride oxide, anionOF2Al
  1848 Aluminum trifluoride (Geo)F3Al
  1849 Aluminum trifluorideF3Al
  1850 Aluminum tetrafluoride, anion (Geo)F4Al
  1851 Aluminum tetrafluoride, anionF4Al
  1852 LiAlF4 (Geo)LiF4Al
  1853 Lithium tetrafluoroaluminateLiF4Al
  1854 Al(III)F6(3-) (YAXXAW) (Geo)F6Al
  1855 Al(III)F6(3-) (YAXXAW) F6Al
  1856 Sodium tetrafluoroaluminateF4NaAl
  1857 Dialuminum oxide, cationOAl2
  1858 Al2O (Geo)OAl2
  1859 Dialuminum oxideOAl2
  1860 Al2O2, cationO2Al2
  1861 Aluminum oxide, dimerO2Al2
  1862 Aluminum trifluoride, dimerF6Al2
  1863 Silicon, cationSi
  1864 Silicon, 1D(g) 3s(2)3p(2)Si
  1865 Silicon, 1S(g) 3s(2)3p(2)Si


ΔHf: -333.5 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 CHARGE=-3 PM7
Al(III)F6(3-) (YAXXAW)
 H=-333.5 HR=PW91D
 Al     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.82566680 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.82559433 +1   90.1093062 +1    0.0000000 +0     1     2     0
  F     1.82574765 +1   90.0511430 +1  -89.9040481 +1     1     2     3
  F     1.82575521 +1   89.5250288 +1  -90.1760493 +1     1     2     4
  F     1.82566339 +1   90.1658348 +1 -179.8225673 +1     1     5     2
  F     1.82561310 +1   90.3099698 +1  -90.0283164 +1     1     2     5